N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine

C11H14ClF2N — CID 102867952

IUPACN-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
SMILESCC(NC(C)C(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClF2N/c1-7(15-8(2)11(13)14)9-4-3-5-10(12)6-9/h3-8,11,15H,1-2H3
InChIKeyJWNKOVWQYIBLIK-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine

N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine (PubChem CID 102867952) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
PubChem CID102867952
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
SMILESCC(NC(C)C(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClF2N/c1-7(15-8(2)11(13)14)9-4-3-5-10(12)6-9/h3-8,11,15H,1-2H3
InChIKeyJWNKOVWQYIBLIK-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
2-[1-[1-(3-chlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710455
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
CID 72566162

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine (CID 102867952) is N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine is CC(NC(C)C(F)F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
The InChIKey is JWNKOVWQYIBLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N/c1-7(15-8(2)11(13)14)9-4-3-5-10(12)6-9/h3-8,11,15H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine has a molecular weight of 233.69 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102867952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).